2-[4-[4-(3-chloro-4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]phenoxy]-N,N-dimethylethanamine

C24H22ClFN4O — CID 71524885

IUPAC2-[4-[4-(3-chloro-4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]phenoxy]-N,N-dimethylethanamine
SMILESCN(C)CCOc1ccc(-c2nc(-c3ccc(F)c(Cl)c3)c(-c3ccncc3)[nH]2)cc1
InChIInChI=1S/C24H22ClFN4O/c1-30(2)13-14-31-19-6-3-17(4-7-19)24-28-22(16-9-11-27-12-10-16)23(29-24)18-5-8-21(26)20(25)15-18/h3-12,15H,13-14H2,1-2H3,(H,28,29)
InChIKeyVCKBXWWRSZEHIZ-UHFFFAOYSA-N
MW436.92 g/mol
LogP5.54
Rot. Bonds7

About 2-[4-[4-(3-chloro-4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]phenoxy]-N,N-dimethylethanamine

2-[4-[4-(3-chloro-4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]phenoxy]-N,N-dimethylethanamine (PubChem CID 71524885) has the molecular formula C24H22ClFN4O and a molecular weight of 436.92 g/mol. Its IUPAC name is 2-[4-[4-(3-chloro-4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]phenoxy]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[4-[4-(3-chloro-4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]phenoxy]-N,N-dimethylethanamine
PubChem CID71524885
Molecular FormulaC24H22ClFN4O
Molecular Weight436.92 g/mol
Exact Mass436.15
IUPAC Name2-[4-[4-(3-chloro-4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]phenoxy]-N,N-dimethylethanamine
SMILESCN(C)CCOc1ccc(-c2nc(-c3ccc(F)c(Cl)c3)c(-c3ccncc3)[nH]2)cc1
InChIInChI=1S/C24H22ClFN4O/c1-30(2)13-14-31-19-6-3-17(4-7-19)24-28-22(16-9-11-27-12-10-16)23(29-24)18-5-8-21(26)20(25)15-18/h3-12,15H,13-14H2,1-2H3,(H,28,29)
InChIKeyVCKBXWWRSZEHIZ-UHFFFAOYSA-N
XLogP5.54
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.92
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(3-chloro-4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]phenoxy]-N,N-dimethylethanamine?
The IUPAC name of 2-[4-[4-(3-chloro-4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]phenoxy]-N,N-dimethylethanamine (CID 71524885) is 2-[4-[4-(3-chloro-4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]phenoxy]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[4-[4-(3-chloro-4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]phenoxy]-N,N-dimethylethanamine?
The canonical SMILES for 2-[4-[4-(3-chloro-4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]phenoxy]-N,N-dimethylethanamine is CN(C)CCOc1ccc(-c2nc(-c3ccc(F)c(Cl)c3)c(-c3ccncc3)[nH]2)cc1.
What is the InChIKey of 2-[4-[4-(3-chloro-4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]phenoxy]-N,N-dimethylethanamine?
The InChIKey is VCKBXWWRSZEHIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClFN4O/c1-30(2)13-14-31-19-6-3-17(4-7-19)24-28-22(16-9-11-27-12-10-16)23(29-24)18-5-8-21(26)20(25)15-18/h3-12,15H,13-14H2,1-2H3,(H,28,29).
What are the key properties of 2-[4-[4-(3-chloro-4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]phenoxy]-N,N-dimethylethanamine?
2-[4-[4-(3-chloro-4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]phenoxy]-N,N-dimethylethanamine has a molecular weight of 436.92 g/mol, XLogP of 5.54, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(3-chloro-4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]phenoxy]-N,N-dimethylethanamine is sourced from PubChem (CID 71524885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).